CB-6644 - Moligand™,≥97% , CAS No.2316817-88-4

CAS: 2316817-88-4 Cat. No.: C650122 Fórmula: C₂₉H₃₄ClFN₄O₅ Peso molecular: 573.06 PubChem CID: 137333455

CALIDAD & PUREZA Moligand™, ≥97%

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Especificaciones

Especificaciones y pureza

Moligand™,≥97%

Mecanismos bioquímicos y fisiológicos

CB-6644 is a selective inhibitor of RUVBL1 / 2 complex with anti-cancer activity. CB-6644 blocks the ATPase activity of RUVBL1/2 with an IC 50 of 15 nM.

Condiciones de almacenamiento de almacenamiento

Store at -20°C,Argon charged

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Moligand™

Tipo de acción

INHIBITOR

Pureza

≥97%

Nombres e identificadores

Sonrisas canónicas

CCOC1=CC(=C(C=C1C(=O)NCC(C)(C)CC(=O)NC2=C(N3CCCC4=CC=CC=C4N3C2=O)COC)Cl)F

IUPAC Name

5-chloro-2-ethoxy-4-fluoro-N-[4-[[3-(methoxymethyl)-1-oxo-6,7-dihydro-5H-pyrazolo[1,2-a][1,2]benzodiazepin-2-yl]amino]-2,2-dimethyl-4-oxobutyl]benzamide

InChIKey

VYCOZEBCSAQCES-UHFFFAOYSA-N

INCHI

1S/C29H34ClFN4O5/c1-5-40-24-14-21(31)20(30)13-19(24)27(37)32-17-29(2,3)15-25(36)33-26-23(16-39-4)34-12-8-10-18-9-6-7-11-22(18)35(34)28(26)38/h6-7,9,11,13-14H,5,8,10,12,15-17H2,1-4H3,(H,32,37)(H,33,36)

Isómeros SMILES

CCOC1=CC(=C(C=C1C(=O)NCC(C)(C)CC(=O)NC2=C(N3CCCC4=CC=CC=C4N3C2=O)COC)Cl)F

PubChem CID

137333455

Peso molecular

573.06

Objetivos asociados (humanos)

A549 (127892 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

HCT-116 (91556 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MDA-MB-231 (73002 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

RUVBL2 Tbio RuvB-like 2 (47 Activities)

Discover Target: RUVBL2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: DMSO : 100 mg/mL (174.50 mM; Need ultrasonic)
• Peso molecular: 573.100 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 10
• Exact Mass: 572.22 Da
• Monoisotopic Mass: 572.22 Da
• Topological Polar Surface Area: 100.000 Ų
• Heavy Atom Count: 40
• Formal Charge: 0
• Complexity: 978.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1